 |
 |
Hey Carlos, Wouldnt refining anisotropically without hydrogens and then adding hydrogens work? The contribution to the lowering of R factor will still be there. > Dear Everyone, > > I have performed an anisotropic restrained refinement in REFMAC5 with > hydrogens added, and later read there is no need to refine the hydrogens > anisotropically. Is there a way to refine all atoms anisotropically > except hydrogens in REFMAC5? I would like to keep the hydrogens during > the refinement as they contribute to the R values. > > Sincerely, > Carlos > Arti S. Pandey Graduate Student Chemistry and Biochemistry Montana State University Bozeman,MT 59717